SCHEMBL2822973

SCHEMBL2822973

CCOC(=O)c1cc2ccc(N)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
MAPT P10636 6/20 0.48
GAA P10253 4/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
SHMT2 P34897 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1000816 0.88 PTPN2 (0.49) PTPN2LMNACYP1A2CYP3A4MAOA
Hydrochloric Acid SCHEMBL6983330 0.87 PTPN2 (0.48) PTPN2LMNACYP1A2CYP3A4MAOA
SCHEMBL10991093 0.86 MAPT (0.45) PTPN2LMNACYP1A2CYP3A4MAOA
SCHEMBL8250276 0.85 HDAC1 (0.60) PTPN2LMNAMAPTGAAALDH1A1
SCHEMBL1390384 0.84 HSD17B1 (0.51) PTPN2MAOAMAPTGAAALDH1A1
SCHEMBL31207824 0.84 HSD17B1 (0.51) PTPN2MAOAMAPTGAAALDH1A1
SCHEMBL155423 0.84 PTPN2 (0.50) PTPN2MAPTGAAALDH1A1HPGD
SCHEMBL3809433 0.83 PTPN2 (0.46) PTPN2LMNACYP1A2CYP3A4MAOA
SCHEMBL999671 0.83 HDAC1 (0.56) PTPN2LMNAMAPTGAAALDH1A1
SCHEMBL1888634 0.83 PTPN2 (0.47) PTPN2MAPTGAAALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PTPN2 4497/4885LMNA 948/4885CYP1A2 2031/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PTPN2 3625/4885LMNA 1119/4885CYP1A2 545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.